Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM35282'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-secretase 1 (Homo sapiens (Human))	BDBM35282 (US8546380, 660 | US8633188, 660) Show SMILES COCc1cc(NC(=O)c2ccc(cc2)C(F)(F)F)cc(c1)C1(C)CCSC(N)=N1 |c:30| Show InChI InChI=1S/C21H22F3N3O2S/c1-20(7-8-30-19(25)27-20)16-9-13(12-29-2)10-17(11-16)26-18(28)14-3-5-15(6-4-14)21(22,23)24/h3-6,9-11H,7-8,12H2,1-2H3,(H2,25,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.59E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM35282 (US8546380, 660 | US8633188, 660) Show SMILES COCc1cc(NC(=O)c2ccc(cc2)C(F)(F)F)cc(c1)C1(C)CCSC(N)=N1 |c:30| Show InChI InChI=1S/C21H22F3N3O2S/c1-20(7-8-30-19(25)27-20)16-9-13(12-29-2)10-17(11-16)26-18(28)14-3-5-15(6-4-14)21(22,23)24/h3-6,9-11H,7-8,12H2,1-2H3,(H2,25,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. US Patent					Assay Description Inhibition assay using beta-Secretase activity.				US Patent US8546380 (2013) BindingDB Entry DOI: 10.7270/Q2HQ3XJ0
					More data for this Ligand-Target Pair